6-Nitro-4-oxo-1-propionyl1,2,3,4-tetrahydroquinoline
Basic information
- Standard SMILES
CCC(=O)N1CCC(=O)c2cc([N+](=O)[O-])ccc21- InChIKey
SYTCSBYKAVQCBD-UHFFFAOYSA-N- Molecular formula
- C12H12N2O4
- Average molar mass
- 248.23 g/mol
Names & identifiers
- Preferred name
- 6-Nitro-4-oxo-1-propionyl1,2,3,4-tetrahydroquinoline
- IUPAC
- 6-nitro-1-propanoyl-2,3-dihydroquinolin-4-one
Names & synonyms
SCHEMBL9538328SYTCSBYKAVQCBD-UHFFFAOYSA-N6-nitro-4-oxo-1-propionyl-1,2,3,4-tetrahydroquinoline6-nitro-4-oxo-1-propionyl-1,2,3,4tetrahydroquinoline6-nitro-4-oxo-1-propionyl1,2,3,4-tetrahydroquinoline
Database identifiers
- PubChem CID
- 21294787
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 377
Related reactions
5 records
Compound notes
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